HMDB0046363 RDKit 3D TG(22:0/20:0/20:3(5Z,8Z,11Z)) 191190 0 0 0 0 0 0 0 0999 V2000 -3.1379 -4.3062 -7.6719 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4111 -3.5211 -6.4235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8404 -2.9639 -6.4236 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9963 -2.2142 -5.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3879 -1.5965 -4.9692 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3722 -0.9121 -3.6498 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6925 -0.2354 -3.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3914 0.3582 -1.8856 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5066 1.0408 -1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4764 2.2955 -0.9254 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2686 3.1857 -1.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7215 4.2912 -2.0151 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6500 5.5404 -1.7046 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1110 6.1703 -0.4436 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0126 7.0947 -0.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8246 7.1001 -0.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1394 6.3068 0.6242 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0135 5.4841 0.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0523 4.9358 1.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3972 4.1370 2.1887 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5874 3.8509 2.4596 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5112 3.6475 3.0688 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1023 3.0249 4.1065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2136 1.6334 4.5862 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1956 0.6658 4.0591 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5384 -0.1381 2.9730 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4579 -1.2050 3.1604 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9089 -1.3702 4.2918 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8449 -2.0815 2.0467 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7051 -2.9330 1.5058 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2154 -3.8381 0.4111 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1571 -4.6836 -0.1774 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9365 -3.9236 -0.9145 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9603 -4.8871 -1.4413 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0397 -4.2309 -2.2774 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0237 -5.3008 -2.6985 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1230 -4.8914 -3.5799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0431 -3.8178 -3.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7267 -4.0278 -1.8353 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6994 -2.9502 -1.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1614 -1.5606 -1.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1619 -0.5069 -1.0789 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5901 -0.7162 0.3604 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6050 0.3197 0.8242 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9281 0.0164 2.2758 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9120 0.9614 2.8783 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1741 0.6282 4.3067 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7376 -0.7427 4.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9692 -0.9831 6.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4631 1.1045 4.9130 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9710 0.9927 6.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1652 1.4732 7.1018 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2069 0.4491 6.7067 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5290 0.9353 6.3341 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1559 0.7085 5.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4453 1.1892 3.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3201 0.9118 2.5791 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5694 1.3974 1.3845 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2373 0.7484 1.1457 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6352 1.3832 -0.1232 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3554 0.7067 -0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6498 1.2903 -1.6511 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4161 0.4257 -1.9578 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5377 0.3159 -0.8414 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2289 1.5720 -0.4269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0514 1.2929 0.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0202 0.1735 0.7033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7361 -0.0045 2.0567 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6374 -1.1866 1.9352 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4258 -1.5105 3.1730 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2692 -2.7633 2.9248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0814 -5.3826 -7.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1151 -4.0185 -8.0416 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8619 -4.1255 -8.4795 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7031 -2.6900 -6.2424 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3365 -4.1689 -5.5043 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8775 -2.2525 -7.2633 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5620 -3.7859 -6.5441 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2990 -1.3342 -5.1796 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7169 -2.8059 -4.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1695 -2.3817 -5.0198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5606 -0.8449 -5.7587 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1319 -1.6285 -2.8552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5899 -0.1147 -3.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9458 0.5882 -3.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4956 -0.9784 -3.1172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4431 0.8665 -1.9911 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2274 -0.5993 -1.2669 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4226 0.4277 -1.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3387 2.7570 -0.4631 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0927 3.6048 -0.1097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4104 2.6799 -1.5443 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1541 3.9914 -3.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0387 6.2709 -2.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9176 6.7983 -0.0358 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7185 5.4305 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3490 7.8042 -1.6862 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1710 7.9031 -0.9331 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9124 5.6868 1.1306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7003 7.0204 1.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4430 6.1836 -0.6035 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3999 4.7168 -0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4354 5.8382 1.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 4.4266 0.3954 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0643 3.2152 4.1753 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3623 3.6459 5.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7573 1.7807 5.7008 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7477 1.2372 3.9456 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0867 -0.0851 4.8901 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3162 -1.5863 1.2103 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6345 -2.7950 2.4426 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0471 -2.2680 1.0885 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3211 -3.6071 2.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0804 -4.4167 0.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6416 -3.2117 -0.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2751 -5.4327 0.5191 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6465 -5.3133 -0.9764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4859 -3.3464 -1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4457 -3.2122 -0.2323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4269 -5.5829 -2.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3625 -5.5503 -0.6603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 -3.4216 -1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6049 -3.7838 -3.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3537 -5.9072 -1.8143 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3905 -6.0463 -3.2807 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7476 -5.7682 -3.8999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6704 -4.5384 -4.5589 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8713 -3.7796 -3.9179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5813 -2.8040 -3.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3372 -4.9756 -1.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0242 -4.2638 -1.0093 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5594 -2.9994 -2.1952 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1428 -3.2049 -0.4916 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2245 -1.3853 -0.9973 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9384 -1.2909 -2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6559 0.4735 -1.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0288 -0.4588 -1.7709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0315 -1.7101 0.4905 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6807 -0.6463 1.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2173 1.3470 0.7794 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5204 0.2808 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3097 -1.0237 2.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9667 0.1134 2.8373 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8638 0.9685 2.3027 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4667 1.9978 2.8516 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9097 1.3512 4.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2659 0.7223 4.9435 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0494 -1.5451 4.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7428 -0.8280 4.0658 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2504 -0.3724 6.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9789 -0.6592 6.3473 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8542 -2.0551 6.3051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1644 0.4695 7.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2106 -0.7051 6.5600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5313 2.0940 6.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3154 0.6363 7.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1543 1.2675 5.0499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4242 -0.3950 4.9073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5426 0.5822 3.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3083 2.2703 3.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5648 -0.1450 2.5409 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1966 1.5868 2.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2580 1.1514 0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4597 2.4860 1.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3676 -0.3274 1.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5546 0.9867 1.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4830 2.4451 0.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3614 1.3075 -0.9314 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6217 -0.3483 -0.7751 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6902 0.5935 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3190 1.1781 -2.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4065 2.3522 -1.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8064 -0.5619 -2.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1216 0.8349 -2.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3765 -0.3679 -1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 -0.1326 0.0760 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8869 1.9036 -1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5549 2.4091 -0.1849 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6670 2.2342 0.9622 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4067 1.2613 1.7106 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 -0.8049 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 0.4735 -0.0082 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3993 0.8839 2.2202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -0.0987 2.8183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3435 -1.0990 1.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0149 -2.0894 1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1662 -0.6950 3.3304 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -1.6970 4.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 -3.5948 2.5583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8134 -3.0802 3.8382 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0279 -2.6244 2.1398 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 24 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 69 70 1 0 70 71 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 0 3 78 1 0 4 79 1 0 4 80 1 0 5 81 1 0 5 82 1 0 6 83 1 0 6 84 1 0 7 85 1 0 7 86 1 0 8 87 1 0 8 88 1 0 9 89 1 0 10 90 1 0 11 91 1 0 11 92 1 0 12 93 1 0 13 94 1 0 14 95 1 0 14 96 1 0 15 97 1 0 16 98 1 0 17 99 1 0 17100 1 0 18101 1 0 18102 1 0 19103 1 0 19104 1 0 23105 1 0 23106 1 0 24107 1 1 25108 1 0 25109 1 0 29110 1 0 29111 1 0 30112 1 0 30113 1 0 31114 1 0 31115 1 0 32116 1 0 32117 1 0 33118 1 0 33119 1 0 34120 1 0 34121 1 0 35122 1 0 35123 1 0 36124 1 0 36125 1 0 37126 1 0 37127 1 0 38128 1 0 38129 1 0 39130 1 0 39131 1 0 40132 1 0 40133 1 0 41134 1 0 41135 1 0 42136 1 0 42137 1 0 43138 1 0 43139 1 0 44140 1 0 44141 1 0 45142 1 0 45143 1 0 46144 1 0 46145 1 0 47146 1 0 47147 1 0 48148 1 0 48149 1 0 49150 1 0 49151 1 0 49152 1 0 53153 1 0 53154 1 0 54155 1 0 54156 1 0 55157 1 0 55158 1 0 56159 1 0 56160 1 0 57161 1 0 57162 1 0 58163 1 0 58164 1 0 59165 1 0 59166 1 0 60167 1 0 60168 1 0 61169 1 0 61170 1 0 62171 1 0 62172 1 0 63173 1 0 63174 1 0 64175 1 0 64176 1 0 65177 1 0 65178 1 0 66179 1 0 66180 1 0 67181 1 0 67182 1 0 68183 1 0 68184 1 0 69185 1 0 69186 1 0 70187 1 0 70188 1 0 71189 1 0 71190 1 0 71191 1 0 M END